#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdz s ARG 2 N 0.00 0.94 -0.09 5.56 6.06 0.38 -4.63 118.95 127.16 2pdz s ARG 2 Ca 0.00 0.46 0.03 0.00 -2.50 0.00 0.00 55.73 53.72 2pdz s ARG 2 Cb 0.00 0.44 0.01 0.00 0.06 0.00 0.00 34.95 35.46 2pdz s ARG 2 CO 0.00 -0.24 -0.18 1.03 -2.50 0.00 0.00 175.30 173.41 2pdz s ARG 3 N -0.66 2.39 -0.08 5.12 0.52 -1.26 0.10 118.95 125.08 2pdz s ARG 3 Ca -0.07 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2pdz s ARG 3 Cb -0.02 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.59 2pdz s ARG 3 CO 0.06 0.08 -0.11 0.08 0.02 0.00 0.00 175.30 175.43 2pdz s VAL 4 N 0.56 1.12 -0.11 3.52 1.01 -0.73 -4.92 120.40 120.86 2pdz s VAL 4 Ca -0.15 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2pdz s VAL 4 Cb -0.17 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2pdz s VAL 4 CO 0.05 0.36 -0.14 -0.89 0.00 0.00 0.00 175.10 174.48 2pdz s THR 5 N 0.91 2.96 -0.25 3.92 2.01 -1.26 0.62 115.64 124.55 2pdz s THR 5 Ca -0.10 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2pdz s THR 5 Cb -0.15 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.21 2pdz s THR 5 CO 0.01 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 2pdz s VAL 6 N 0.07 1.87 -1.15 3.82 1.01 -0.70 -4.92 120.40 120.39 2pdz s VAL 6 Ca -0.06 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 2pdz s VAL 6 Cb -0.15 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 2pdz s VAL 6 CO 0.05 -0.07 1.91 0.54 0.00 0.00 0.00 175.10 177.53 2pdz n ARG 7 N 4.54 1.93 -1.10 2.72 3.00 -1.26 -0.69 116.66 125.80 2pdz n ARG 7 Ca -0.13 -2.53 -0.36 0.00 -0.01 0.00 0.00 57.85 54.82 2pdz n ARG 7 Cb 0.43 -3.55 0.07 0.00 0.00 0.00 0.00 32.46 29.41 2pdz n ARG 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2pdz n LYS 8 N 8.02 0.07 -0.70 5.56 4.76 0.93 -4.93 118.16 131.87 2pdz n LYS 8 Ca 0.47 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2pdz n LYS 8 Cb 0.45 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pdz n ALA 9 N -2.55 0.00 -0.14 7.82 0.00 -1.26 -4.76 120.51 119.62 2pdz n ALA 9 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2pdz n ALA 9 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2pdz n ALA 9 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pdz h ASP 10 N 0.00 0.68 -1.63 0.00 3.32 -2.00 -3.45 116.42 113.34 2pdz h ASP 10 Ca 0.00 -0.28 0.13 0.00 0.02 0.00 0.00 57.03 56.89 2pdz h ASP 10 Cb 0.00 -0.18 -0.23 0.00 0.22 0.00 0.00 39.33 39.14 2pdz h ASP 10 CO 0.00 0.80 0.10 0.00 -1.72 0.00 0.00 179.24 178.42 2pdz s ALA 11 N -5.10 -2.38 0.00 3.45 0.00 -1.26 -5.08 121.76 111.39 2pdz s ALA 11 Ca -0.13 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2pdz s ALA 11 Cb 0.10 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2pdz s ALA 11 CO 0.79 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2pdz n GLY 12 N 4.97 -2.15 0.00 0.00 0.00 -1.26 -5.18 105.19 101.57 2pdz n GLY 12 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2pdz n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 13 N -0.88 2.16 0.02 -0.02 0.00 -1.26 -5.03 105.19 100.17 2pdz n GLY 13 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.09 2pdz n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pdz n LEU 14 N 0.00 0.00 -2.80 0.99 0.00 -1.26 -3.93 117.00 110.00 2pdz n LEU 14 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.01 2pdz n LEU 14 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 43.42 43.50 2pdz n LEU 14 CO 0.00 0.08 -0.50 0.61 0.00 0.00 0.00 177.39 177.58 2pdz n GLY 15 N 2.02 -3.56 3.26 -3.96 0.00 -1.26 -2.64 105.19 99.06 2pdz n GLY 15 Ca -0.07 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.41 2pdz n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pdz s ILE 16 N -1.48 -0.17 -0.35 -0.61 2.07 -1.26 -3.43 121.20 115.95 2pdz s ILE 16 Ca -0.01 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2pdz s ILE 16 Cb 0.00 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.66 2pdz s ILE 16 CO 0.64 0.00 0.11 -0.44 -1.91 0.00 0.00 174.94 173.34 2pdz s SER 17 N 2.11 5.16 0.51 4.50 0.01 -0.53 -4.96 113.70 120.50 2pdz s SER 17 Ca -0.01 -1.52 -0.12 0.00 1.31 0.00 0.00 55.95 55.62 2pdz s SER 17 Cb -0.02 -1.81 -0.06 0.00 0.21 0.00 0.00 66.02 64.34 2pdz s SER 17 CO -0.16 -0.39 0.91 0.27 0.41 0.00 0.00 173.24 174.28 2pdz s ILE 18 N 1.26 4.69 0.08 1.44 -4.36 -1.26 -1.84 121.20 121.21 2pdz s ILE 18 Ca 0.01 0.84 0.02 0.00 -0.26 0.00 0.00 60.65 61.26 2pdz s ILE 18 Cb -0.21 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.68 2pdz s ILE 18 CO -0.01 -0.78 -0.06 -0.54 0.24 0.00 0.00 174.94 173.78 2pdz s LYS 19 N -4.38 0.71 0.00 0.37 1.02 0.42 -4.76 119.74 113.13 2pdz s LYS 19 Ca 0.54 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2pdz s LYS 19 Cb -0.10 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 2pdz s LYS 19 CO 0.39 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 2pdz n GLY 20 N 0.44 0.52 0.00 -3.33 0.00 -1.26 -0.22 105.19 101.34 2pdz n GLY 20 Ca -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2pdz n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 21 N 0.00 3.32 0.18 -0.02 0.00 -1.26 -4.73 105.19 102.68 2pdz n GLY 21 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2pdz n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pdz h ARG 22 N 0.00 0.00 -0.04 1.61 9.65 -1.76 -0.32 114.38 123.53 2pdz h ARG 22 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2pdz h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2pdz h ARG 22 CO 0.00 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 181.92 2pdz n GLU 23 N -2.35 1.16 -1.06 0.20 0.28 -1.26 -3.46 120.64 114.14 2pdz n GLU 23 Ca -0.01 -0.24 0.02 0.00 -0.16 0.00 0.00 57.16 56.77 2pdz n GLU 23 Cb 0.05 -1.26 0.01 0.00 1.43 0.00 0.00 31.44 31.68 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pdz n ASN 24 N -0.49 0.52 -2.85 -1.84 3.02 -0.13 -5.06 115.26 108.42 2pdz n ASN 24 Ca 0.12 -1.98 -0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2pdz n ASN 24 Cb 0.11 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2pdz n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pdz n LYS 25 N 0.27 -2.61 -3.57 3.52 4.01 -1.22 -4.93 118.16 113.64 2pdz n LYS 25 Ca 0.03 2.23 -0.01 0.00 -0.51 0.00 0.00 58.31 60.05 2pdz n LYS 25 Cb 0.94 -4.15 -0.06 0.00 -0.51 0.00 0.00 35.03 31.26 2pdz n LYS 25 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2pdz s MET 26 N -1.45 0.33 0.00 1.97 -1.94 -1.25 -4.94 119.30 112.02 2pdz s MET 26 Ca -0.00 0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 54.60 2pdz s MET 26 Cb 0.00 0.18 -0.12 0.00 2.01 0.00 0.00 34.83 36.90 2pdz s MET 26 CO 0.56 -0.08 2.36 -0.35 -0.01 0.00 0.00 175.02 177.50 2pdz n PRO 27 N 4.05 1.23 -3.00 2.03 -0.04 -1.26 -4.30 135.00 133.71 2pdz n PRO 27 Ca -0.16 -0.44 -0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2pdz n PRO 27 Cb 0.56 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2pdz n PRO 27 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pdz n ILE 28 N 2.15 -5.79 -3.82 0.52 2.08 -1.26 -2.23 119.36 111.01 2pdz n ILE 28 Ca 0.19 1.02 -0.36 0.00 0.56 0.00 0.00 62.75 64.16 2pdz n ILE 28 Cb 0.58 -4.45 -0.11 0.00 -0.75 0.00 0.00 39.64 34.91 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pdz s LEU 29 N -1.16 3.80 0.36 1.39 2.96 0.69 -1.16 118.68 125.56 2pdz s LEU 29 Ca -0.01 -0.00 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2pdz s LEU 29 Cb 0.00 -2.00 -0.11 0.00 0.50 0.00 0.00 46.19 44.58 2pdz s LEU 29 CO 0.30 0.07 1.46 -0.38 -1.32 0.00 0.00 176.35 176.47 2pdz n ILE 30 N 4.25 1.88 0.00 6.68 5.41 -0.82 -0.43 119.36 136.32 2pdz n ILE 30 Ca -0.16 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.12 2pdz n ILE 30 Cb 0.52 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2pdz n ILE 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2pdz n SER 31 N 0.73 0.19 -3.25 4.38 2.88 -0.76 -1.56 113.62 116.22 2pdz n SER 31 Ca 0.03 -0.37 -0.05 0.00 -1.33 0.00 0.00 58.87 57.16 2pdz n SER 31 Cb 0.38 0.77 -0.04 0.00 -0.75 0.00 0.00 64.21 64.57 2pdz n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2pdz s LYS 32 N -0.81 0.46 -0.65 -1.46 2.20 -1.11 -4.90 119.74 113.48 2pdz s LYS 32 Ca 0.00 0.29 -0.24 0.00 -0.36 0.00 0.00 55.97 55.66 2pdz s LYS 32 Cb 0.00 -0.11 0.06 0.00 -1.51 0.00 0.00 37.83 36.26 2pdz s LYS 32 CO 0.00 -1.03 1.01 0.42 -0.36 0.00 0.00 175.35 175.39 2pdz s ILE 33 N 2.64 4.24 0.30 5.43 -1.09 -1.26 -1.46 121.20 130.00 2pdz s ILE 33 Ca 0.10 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 2pdz s ILE 33 Cb -0.12 -4.69 -0.12 0.00 -1.58 0.00 0.00 42.46 35.95 2pdz s ILE 33 CO -0.28 -1.45 1.58 0.49 -1.23 0.00 0.00 174.94 174.04 2pdz n PHE 34 N 7.93 2.83 -2.08 3.97 3.01 -1.22 -4.94 117.46 126.96 2pdz n PHE 34 Ca -0.02 0.28 -0.27 0.00 1.01 0.00 0.00 57.45 58.45 2pdz n PHE 34 Cb 0.46 -2.58 0.07 0.00 -0.01 0.00 0.00 39.48 37.42 2pdz n PHE 34 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2pdz s LYS 35 N -0.65 2.17 -1.48 -1.08 -2.85 -1.26 -4.07 119.74 110.52 2pdz s LYS 35 Ca 0.63 -0.06 -0.00 0.00 -1.00 0.00 0.00 55.97 55.54 2pdz s LYS 35 Cb -0.50 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 2pdz s LYS 35 CO 0.50 -1.34 0.03 0.41 0.10 0.00 0.00 175.35 175.04 2pdz n GLY 36 N -3.07 -0.35 3.15 0.59 0.00 -1.26 -4.98 105.19 99.27 2pdz n GLY 36 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2pdz n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pdz s LEU 37 N -5.03 2.25 0.01 0.99 1.43 -1.26 -5.01 118.68 112.05 2pdz s LEU 37 Ca 0.01 -1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 2pdz s LEU 37 Cb -0.01 0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.33 2pdz s LEU 37 CO 0.02 -0.60 1.05 0.00 0.23 0.00 0.00 176.35 177.05 2pdz h ALA 38 N 2.96 -0.36 -1.04 4.21 0.00 -1.68 0.32 119.26 123.67 2pdz h ALA 38 Ca -0.35 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 54.89 2pdz h ALA 38 Cb 1.17 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 19.55 2pdz h ALA 38 CO 0.63 -0.38 0.61 0.00 0.00 0.00 0.00 179.25 180.11 2pdz h ALA 39 N -1.20 2.06 -0.50 0.00 0.00 -1.75 1.14 119.26 119.01 2pdz h ALA 39 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pdz h ALA 39 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pdz h ALA 39 CO -0.05 -0.65 0.00 -3.47 0.00 0.00 0.00 179.25 175.08 2pdz n ASP 40 N -4.97 2.82 -0.25 0.00 2.03 -0.59 -3.36 116.55 112.22 2pdz n ASP 40 Ca 0.32 -2.04 0.03 0.00 0.52 0.00 0.00 54.79 53.61 2pdz n ASP 40 Cb 1.01 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 41.10 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pdz n GLN 41 N 0.96 0.94 -0.40 -0.67 6.02 0.39 -4.56 117.38 120.05 2pdz n GLN 41 Ca 0.17 -1.18 0.08 0.00 -0.01 0.00 0.00 57.00 56.06 2pdz n GLN 41 Cb 0.46 -1.12 0.25 0.00 1.02 0.00 0.00 30.24 30.85 2pdz n GLN 41 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2pdz n THR 42 N 0.19 1.73 -3.73 5.09 5.66 -1.04 -4.99 114.28 117.19 2pdz n THR 42 Ca 0.04 -1.39 -0.33 0.00 -3.05 0.00 0.00 64.05 59.32 2pdz n THR 42 Cb 0.21 0.11 0.04 0.00 -1.55 0.00 0.00 70.33 69.13 2pdz n THR 42 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2pdz n GLU 43 N 0.27 -1.06 0.00 1.09 2.13 -1.26 -4.71 120.64 117.10 2pdz n GLU 43 Ca 0.19 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2pdz n GLU 43 Cb 0.73 -3.80 0.00 0.00 0.27 0.00 0.00 31.44 28.64 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pdz n ALA 44 N -4.15 0.00 -2.08 4.31 0.00 -1.26 -5.04 120.51 112.29 2pdz n ALA 44 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 2pdz n ALA 44 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 2pdz n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pdz s LEU 45 N -4.32 3.15 0.17 0.00 0.20 -1.21 -4.91 118.68 111.76 2pdz s LEU 45 Ca 0.00 -1.04 0.09 0.00 0.69 0.00 0.00 54.13 53.87 2pdz s LEU 45 Cb 0.00 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 2pdz s LEU 45 CO 0.00 -2.78 -0.14 0.72 -0.29 0.00 0.00 176.35 173.86 2pdz s PHE 46 N 10.09 2.54 1.04 5.38 -0.12 -1.26 -4.33 117.98 131.31 2pdz s PHE 46 Ca 0.68 -0.26 -0.19 0.00 -0.05 0.00 0.00 56.93 57.12 2pdz s PHE 46 Cb -0.04 -1.27 -0.01 0.00 -0.63 0.00 0.00 43.02 41.07 2pdz s PHE 46 CO 0.03 0.48 -0.31 0.28 -0.05 0.00 0.00 175.22 175.66 2pdz n VAL 47 N 0.26 0.00 -2.32 -2.49 0.31 -1.26 -3.32 118.33 109.50 2pdz n VAL 47 Ca -0.12 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 63.87 2pdz n VAL 47 Cb 0.55 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2pdz n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pdz n GLY 48 N 2.38 0.02 3.07 2.92 0.00 -0.60 -4.92 105.19 108.06 2pdz n GLY 48 Ca 0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2pdz n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pdz s ASP 49 N -2.66 5.01 -0.50 1.61 1.11 -1.21 -0.95 116.67 119.07 2pdz s ASP 49 Ca 0.05 -2.07 -0.29 0.00 0.18 0.00 0.00 52.55 50.41 2pdz s ASP 49 Cb -0.02 -1.73 0.03 0.00 1.07 0.00 0.00 42.92 42.27 2pdz s ASP 49 CO 0.06 -0.46 1.20 0.00 1.18 0.00 0.00 175.17 177.16 2pdz s ALA 50 N 1.02 3.08 0.27 5.23 0.00 -1.01 -1.95 121.76 128.40 2pdz s ALA 50 Ca 0.09 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2pdz s ALA 50 Cb -0.21 -3.95 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 2pdz s ALA 50 CO -0.06 -2.41 1.07 0.42 0.00 0.00 0.00 175.76 174.78 2pdz s ILE 51 N 4.80 3.60 0.00 0.00 1.01 -0.31 0.11 121.20 130.41 2pdz s ILE 51 Ca 0.49 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2pdz s ILE 51 Cb -0.08 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2pdz s ILE 51 CO 0.30 0.38 0.61 0.18 0.00 0.00 0.00 174.94 176.41 2pdz n LEU 52 N 1.26 1.09 0.00 2.97 7.99 -0.75 -4.44 117.00 125.12 2pdz n LEU 52 Ca -0.01 -1.09 0.00 0.00 -0.01 0.00 0.00 56.01 54.89 2pdz n LEU 52 Cb 0.45 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 2pdz n LEU 52 CO 0.53 0.27 0.00 -1.54 -1.51 0.00 0.00 177.39 175.15 2pdz n SER 53 N -0.17 0.00 -4.63 -1.43 3.41 -1.26 -1.15 113.62 108.39 2pdz n SER 53 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2pdz n SER 53 Cb 0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2pdz s VAL 54 N 0.00 5.09 -1.59 -3.33 -7.23 -1.06 -2.06 120.40 110.21 2pdz s VAL 54 Ca 0.00 0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 61.00 2pdz s VAL 54 Cb 0.00 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.13 2pdz s VAL 54 CO 0.00 0.11 0.49 0.59 -0.31 0.00 0.00 175.10 175.98 2pdz n ASN 55 N 5.34 -6.00 0.00 4.85 3.02 0.41 -1.61 115.26 121.27 2pdz n ASN 55 Ca -0.05 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2pdz n ASN 55 Cb 0.50 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pdz n GLY 56 N -1.42 0.47 3.14 7.41 0.00 -1.26 -4.98 105.19 108.56 2pdz n GLY 56 Ca -0.14 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2pdz n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pdz s GLU 57 N -1.68 2.67 -0.91 1.61 2.02 -0.63 -5.02 118.70 116.76 2pdz s GLU 57 Ca 0.00 -2.41 -0.32 0.00 0.02 0.00 0.00 54.97 52.26 2pdz s GLU 57 Cb 0.00 -3.84 -0.21 0.00 0.10 0.00 0.00 34.13 30.18 2pdz s GLU 57 CO 0.00 -1.19 2.62 -0.40 0.02 0.00 0.00 175.26 176.31 2pdz n ASP 58 N 3.74 0.49 -0.92 -0.19 5.75 -1.26 -2.56 116.55 121.60 2pdz n ASP 58 Ca 0.07 0.19 0.05 0.00 -0.01 0.00 0.00 54.79 55.09 2pdz n ASP 58 Cb 0.40 -0.97 0.19 0.00 -1.03 0.00 0.00 41.12 39.71 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2pdz n LEU 59 N 10.53 2.64 -0.02 -2.12 7.99 -0.30 -4.28 117.00 131.45 2pdz n LEU 59 Ca 0.63 -1.33 -0.13 0.00 -0.01 0.00 0.00 56.01 55.17 2pdz n LEU 59 Cb 0.06 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 42.88 2pdz n LEU 59 CO 0.92 0.49 0.65 -1.28 -1.51 0.00 0.00 177.39 176.66 2pdz h SER 60 N 2.20 0.05 -0.31 -1.43 0.87 -1.85 -3.06 113.55 110.01 2pdz h SER 60 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2pdz h SER 60 Cb 0.82 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2pdz h SER 60 CO 0.10 0.48 0.00 -0.24 -0.53 0.00 0.00 176.83 176.64 2pdz n SER 61 N -4.84 3.28 -4.86 6.23 2.88 -1.26 -4.89 113.62 110.16 2pdz n SER 61 Ca -0.08 -2.42 -0.23 0.00 -1.33 0.00 0.00 58.87 54.81 2pdz n SER 61 Cb 0.24 -0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pdz s ALA 62 N -1.86 3.68 0.73 -1.46 0.00 -1.16 -5.09 121.76 116.60 2pdz s ALA 62 Ca 0.28 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 2pdz s ALA 62 Cb 0.21 -1.44 0.12 0.00 0.00 0.00 0.00 23.12 22.01 2pdz s ALA 62 CO 0.10 0.33 1.01 0.95 0.00 0.00 0.00 175.76 178.14 2pdz s THR 63 N -1.98 2.19 0.58 0.00 -4.23 -1.26 -4.27 115.64 106.67 2pdz s THR 63 Ca 0.33 -0.51 0.28 0.00 -1.18 0.00 0.00 61.69 60.61 2pdz s THR 63 Cb -0.09 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.42 2pdz s THR 63 CO 0.26 0.00 2.18 -0.74 -0.54 0.00 0.00 174.62 175.78 2pdz h HIS 64 N -0.59 0.00 -0.00 3.99 2.76 -1.89 0.33 115.15 119.75 2pdz h HIS 64 Ca -0.39 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.62 2pdz h HIS 64 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 2pdz h HIS 64 CO -0.19 0.00 -0.78 -0.44 -1.30 0.00 0.00 177.93 175.22 2pdz h ASP 65 N 0.00 0.03 1.01 3.26 5.19 -1.96 -2.63 116.42 121.33 2pdz h ASP 65 Ca 0.04 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2pdz h ASP 65 Cb 0.21 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2pdz h ASP 65 CO -0.00 0.79 -0.55 -0.33 -3.12 0.00 0.00 179.24 176.03 2pdz h GLU 66 N 0.01 0.00 0.17 3.56 4.39 -1.29 -2.38 114.58 119.05 2pdz h GLU 66 Ca -0.01 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.39 2pdz h GLU 66 Cb 1.38 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.04 2pdz h GLU 66 CO 0.10 0.55 -1.33 0.00 -1.16 0.00 0.00 179.01 177.17 2pdz h ALA 67 N 1.45 0.01 -0.01 3.43 0.00 -1.34 -3.22 119.26 119.58 2pdz h ALA 67 Ca -0.01 -0.88 -0.19 0.00 0.00 0.00 0.00 54.91 53.83 2pdz h ALA 67 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2pdz h ALA 67 CO 0.07 0.88 -0.84 0.28 0.00 0.00 0.00 179.25 179.64 2pdz h VAL 68 N 0.10 1.48 -0.79 0.00 2.07 -1.49 -2.84 116.25 114.78 2pdz h VAL 68 Ca -0.18 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 2pdz h VAL 68 Cb 2.04 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 34.18 2pdz h VAL 68 CO 0.23 0.74 0.46 -0.61 0.02 0.00 0.00 177.57 178.41 2pdz h GLN 69 N 0.12 1.08 0.03 1.57 4.15 -1.50 0.14 115.11 120.69 2pdz h GLN 69 Ca -0.04 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 2pdz h GLN 69 Cb 1.45 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2pdz h GLN 69 CO 0.13 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 177.78 2pdz h ALA 70 N 1.42 -0.04 -0.05 3.38 0.00 -1.56 -2.18 119.26 120.24 2pdz h ALA 70 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pdz h ALA 70 Cb -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pdz h ALA 70 CO -0.05 -0.25 0.08 -0.07 0.00 0.00 0.00 179.25 178.97 2pdz h LEU 71 N -0.58 0.00 0.17 0.00 3.38 -1.24 -1.06 115.31 115.97 2pdz h LEU 71 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2pdz h LEU 71 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2pdz h LEU 71 CO 0.01 0.00 -1.37 0.11 0.09 0.00 0.00 178.44 177.28 2pdz h LYS 72 N 0.00 0.36 -2.15 1.13 1.57 -0.51 -3.36 116.57 113.61 2pdz h LYS 72 Ca 0.02 -0.61 -0.60 0.00 -1.87 0.00 0.00 60.65 57.59 2pdz h LYS 72 Cb 0.19 0.23 -0.42 0.00 0.08 0.00 0.00 32.23 32.31 2pdz h LYS 72 CO -0.00 1.28 -0.61 1.63 -0.57 0.00 0.00 179.45 181.19 2pdz n LYS 73 N -3.58 3.33 -0.17 3.15 5.02 -0.49 -5.06 118.16 120.35 2pdz n LYS 73 Ca -0.13 -4.80 -0.02 0.00 -2.02 0.00 0.00 58.31 51.35 2pdz n LYS 73 Cb 1.05 -2.25 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2pdz n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2pdz n THR 74 N -0.29 0.00 -4.39 -0.18 -2.24 -0.65 -4.89 114.28 101.64 2pdz n THR 74 Ca 0.33 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.87 2pdz n THR 74 Cb 0.43 -1.92 -0.04 0.00 -2.10 0.00 0.00 70.33 66.71 2pdz n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdz n GLY 75 N 4.43 3.86 0.47 3.38 0.00 -1.26 -5.04 105.19 111.02 2pdz n GLY 75 Ca 0.01 -2.28 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 2pdz n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pdz h LYS 76 N 0.00 -0.59 -5.29 1.61 3.64 -1.92 -3.28 116.57 110.74 2pdz h LYS 76 Ca -0.22 0.04 -0.65 0.00 -1.27 0.00 0.00 60.65 58.55 2pdz h LYS 76 Cb 0.67 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.47 2pdz h LYS 76 CO 0.36 -0.39 0.70 -1.21 -2.27 0.00 0.00 179.45 176.64 2pdz s GLU 77 N -5.73 3.33 -1.32 1.90 0.41 -1.26 -0.05 118.70 115.99 2pdz s GLU 77 Ca -0.16 -1.24 -0.18 0.00 -0.41 0.00 0.00 54.97 52.99 2pdz s GLU 77 Cb 0.07 -4.57 0.06 0.00 -1.78 0.00 0.00 34.13 27.92 2pdz s GLU 77 CO 0.61 -1.81 1.80 0.28 -0.49 0.00 0.00 175.26 175.65 2pdz n VAL 78 N 5.79 3.86 -2.07 2.63 0.31 0.13 -4.87 118.33 124.11 2pdz n VAL 78 Ca 0.09 -3.94 -0.43 0.00 -0.01 0.00 0.00 64.34 60.05 2pdz n VAL 78 Cb 0.47 -2.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 2pdz n VAL 78 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pdz s VAL 79 N 4.18 3.65 -0.33 2.52 1.01 -1.26 -1.72 120.40 128.45 2pdz s VAL 79 Ca 0.53 0.75 0.03 0.00 0.00 0.00 0.00 61.98 63.30 2pdz s VAL 79 Cb 0.05 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.91 2pdz s VAL 79 CO 0.06 -0.21 0.04 -0.76 0.00 0.00 0.00 175.10 174.23 2pdz s LEU 80 N 4.94 4.44 0.15 3.92 1.02 0.20 0.16 118.68 133.52 2pdz s LEU 80 Ca 0.73 -2.05 -0.31 0.00 0.02 0.00 0.00 54.13 52.51 2pdz s LEU 80 Cb -0.28 -1.56 -0.10 0.00 0.02 0.00 0.00 46.19 44.28 2pdz s LEU 80 CO 0.29 -0.37 1.60 -0.70 0.02 0.00 0.00 176.35 177.19 2pdz s GLU 81 N 0.98 4.21 0.02 1.70 2.12 -0.87 -1.78 118.70 125.07 2pdz s GLU 81 Ca 0.09 2.37 0.04 0.00 0.36 0.00 0.00 54.97 57.83 2pdz s GLU 81 Cb -0.19 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2pdz s GLU 81 CO -0.09 -0.64 -0.11 0.54 -0.54 0.00 0.00 175.26 174.41 2pdz s VAL 82 N 1.48 0.89 -0.77 3.70 0.11 0.29 -1.81 120.40 124.29 2pdz s VAL 82 Ca 0.71 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 2pdz s VAL 82 Cb -0.43 -0.80 0.20 0.00 -1.53 0.00 0.00 36.38 33.82 2pdz s VAL 82 CO 0.32 0.04 0.65 -0.75 -3.33 0.00 0.00 175.10 172.03 2pdz s LYS 83 N -0.82 3.16 -0.25 1.54 2.20 0.30 0.14 119.74 126.01 2pdz s LYS 83 Ca 0.01 -2.65 -0.31 0.00 -0.36 0.00 0.00 55.97 52.66 2pdz s LYS 83 Cb -0.06 -4.08 -0.08 0.00 -1.51 0.00 0.00 37.83 32.09 2pdz s LYS 83 CO 0.00 -1.23 2.17 0.98 -0.36 0.00 0.00 175.35 176.91 2pdz n TYR 84 N 3.47 1.87 -1.59 4.03 4.19 -1.26 -2.41 117.16 125.45 2pdz n TYR 84 Ca 0.13 0.03 -0.30 0.00 3.31 0.00 0.00 57.90 61.07 2pdz n TYR 84 Cb 0.41 -2.65 -0.05 0.00 0.49 0.00 0.00 39.34 37.54 2pdz n TYR 84 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2pdz n MET 85 N 8.32 3.09 0.00 2.98 2.81 -0.13 -4.89 117.12 129.29 2pdz n MET 85 Ca 0.33 -2.56 0.15 0.00 -1.81 0.00 0.00 57.70 53.81 2pdz n MET 85 Cb 0.35 -2.30 0.74 0.00 -0.71 0.00 0.00 33.22 31.30 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65